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Atomistry » Fluorine » PDB 3qrj-3rgf » 3r6t | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 3qrj-3rgf » 3r6t » |
Fluorine in PDB 3r6t: Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-AmideEnzymatic activity of Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide
All present enzymatic activity of Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide:
2.1.1.6; Protein crystallography data
The structure of Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide, PDB code: 3r6t
was solved by
A.Ehler,
D.Schlatter,
M.Stihle,
J.Benz,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 3r6t:
The structure of Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide
(pdb code 3r6t). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide, PDB code: 3r6t: Fluorine binding site 1 out of 1 in 3r6tGo back to Fluorine Binding Sites List in 3r6t
Fluorine binding site 1 out
of 1 in the Rat Catechol O-Methyltransferase in Complex with the Bisubstrate Inhibitor 4'-Fluoro-4,5-Dihydroxy-Biphenyl-3-Carboxylic Acid {(E)-3- [(2S,4R,5R)-4-Hydroxy-5-(6-Methyl-Purin-9-Yl)-Tetrahydro-Furan-2-Yl]- Allyl}-Amide
Mono view Stereo pair view
Reference:
M.Ellermann,
C.Lerner,
G.Burgy,
A.Ehler,
C.Bissantz,
R.Jakob-Roetne,
R.Paulini,
O.Allemann,
H.Tissot,
D.Grunstein,
M.Stihle,
F.Diederich,
M.G.Rudolph.
Catechol-O-Methyltransferase in Complex with Substituted 3'-Deoxyribose Bisubstrate Inhibitors. Acta Crystallogr.,Sect.D V. 68 253 2012.
Page generated: Wed Jul 31 22:13:47 2024
ISSN: ISSN 0907-4449 PubMed: 22349227 DOI: 10.1107/S0907444912001138 |
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